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Information card for entry 2240347
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| Coordinates | 2240347.cif |
|---|---|
| Structure factors | 2240347.hkl |
| Original IUCr paper | HTML |
| Chemical name | Cyclohexylammonium thiocyanate |
|---|---|
| Formula | C7 H14 N2 S |
| Calculated formula | C7 H14 N2 S |
| SMILES | [S-]C#N.[NH3+]C1CCCCC1 |
| Title of publication | Crystal structure of cyclohexylammonium thiocyanate |
| Authors of publication | Bagabas, Abdulaziz A.; Alhoshan, Sultan B.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o62 - o63 |
| a | 23.4036 ± 0.0006 Å |
| b | 23.4036 ± 0.0006 Å |
| c | 8.3373 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3954.77 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240347.cif 2240347.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240347.cif 2240347.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240347.cif 2240347.hkl |
| 129074 | 2014-12-26 | cif/ hkl/ Adding structures of 2240347 via cif-deposit CGI script. |
2240347.cif 2240347.hkl |
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Users of the data should acknowledge the original authors of the
structural data.